9HOO

Variant K281A of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP at 0.83 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-27
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	78.200, 116.610, 62.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.810 - 0.830
R-factor	0.1137
Rwork	0.113
R-free	0.12080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.810	0.860
High resolution limit [Å]	0.830	0.830
Rmeas	0.050
Number of reflections	262904	24676
<I/σ(I)>	27.62
Completeness [%]	99.0
Redundancy	18.8
CC(1/2)	1.000	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris/HCl pH 7.0, 1.7 - 1.9 M Ammonium sulfate, 10 mM Glutathion pH 8.0, 5% (w/v) Glycerol